6T6F

Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	109.950, 115.730, 53.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.905 - 1.970
R-factor	0.2113
Rwork	0.210
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jc6
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.066	1.646
Number of reflections	49440	3587
<I/σ(I)>	14.7	1.3
Completeness [%]	99.7	99.4
Redundancy	6.6	6.5
CC(1/2)	0.999	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	28% PEG3350 -- 0.1M bis-tris pH 5.5 -- 0.2M ammonium acetate